1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine

C24H32ClN — CID 70242485

IUPAC1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
SMILESCCC(CCc1ccc(C2CC2Cl)cc1)N(CC)CCc1ccccc1
InChIInChI=1S/C24H32ClN/c1-3-22(26(4-2)17-16-19-8-6-5-7-9-19)15-12-20-10-13-21(14-11-20)23-18-24(23)25/h5-11,13-14,22-24H,3-4,12,15-18H2,1-2H3
InChIKeyLPDBUUDQZFPNQB-UHFFFAOYSA-N
MW369.98 g/mol
LogP6.06
Rot. Bonds10

About 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine

1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine (PubChem CID 70242485) has the molecular formula C24H32ClN and a molecular weight of 369.98 g/mol. Its IUPAC name is 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine.

Molecular Properties

Compound Name1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
PubChem CID70242485
Molecular FormulaC24H32ClN
Molecular Weight369.98 g/mol
Exact Mass369.22
IUPAC Name1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
SMILESCCC(CCc1ccc(C2CC2Cl)cc1)N(CC)CCc1ccccc1
InChIInChI=1S/C24H32ClN/c1-3-22(26(4-2)17-16-19-8-6-5-7-9-19)15-12-20-10-13-21(14-11-20)23-18-24(23)25/h5-11,13-14,22-24H,3-4,12,15-18H2,1-2H3
InChIKeyLPDBUUDQZFPNQB-UHFFFAOYSA-N
XLogP6.06
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.98
LogP ≤ 56.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

acetonitrile;1-[4-(2,3-dichlorocyclobutyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine
CID 70241070
acetonitrile;1-[4-(2,3-dichlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propylpentan-3-amine
CID 70239066
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-ethyl-N-(2-phenylethyl)butan-2-amine
CID 70238788
1-[4-(2-fluorocyclopropyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70241618
acetonitrile;N-benzyl-1-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylpentan-3-amine
CID 70241384
acetonitrile;N-(2-phenylethyl)-N-propyl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70242722
N-benzyl-4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-methylbutan-2-amine
CID 70241563
4-[4-(2-chlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238912
acetonitrile;4-[4-(2,3-dichlorocyclobutyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylbutan-2-amine
CID 70238961
N-benzyl-3-[4-(2-chlorocyclopropyl)phenyl]-N-propylpropan-1-amine
CID 70243047
1-[4-(3,4-difluorocyclopentyl)phenyl]-N-(2-phenylethyl)-N-propan-2-ylpentan-3-amine
CID 70242599
N-(2-phenylethyl)-N-propan-2-yl-1-[4-[2-(trifluoromethyl)cyclopentyl]phenyl]pentan-3-amine
CID 70244106

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine?
The IUPAC name of 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine (CID 70242485) is 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine.
What is the SMILES notation for 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine?
The canonical SMILES for 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine is CCC(CCc1ccc(C2CC2Cl)cc1)N(CC)CCc1ccccc1.
What is the InChIKey of 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine?
The InChIKey is LPDBUUDQZFPNQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32ClN/c1-3-22(26(4-2)17-16-19-8-6-5-7-9-19)15-12-20-10-13-21(14-11-20)23-18-24(23)25/h5-11,13-14,22-24H,3-4,12,15-18H2,1-2H3.
What are the key properties of 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine?
1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine has a molecular weight of 369.98 g/mol, XLogP of 6.06, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-chlorocyclopropyl)phenyl]-N-ethyl-N-(2-phenylethyl)pentan-3-amine is sourced from PubChem (CID 70242485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).