N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine

C18H32N2 — CID 62462519

IUPACN-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccc(CNCC)cc1)C(C)C
InChIInChI=1S/C18H32N2/c1-5-7-8-13-20(16(3)4)15-18-11-9-17(10-12-18)14-19-6-2/h9-12,16,19H,5-8,13-15H2,1-4H3
InChIKeyQILTXYNHGUCLBK-UHFFFAOYSA-N
MW276.47 g/mol
LogP4.20
Rot. Bonds10

About N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine

N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine (PubChem CID 62462519) has the molecular formula C18H32N2 and a molecular weight of 276.47 g/mol. Its IUPAC name is N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine.

Molecular Properties

Compound NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
PubChem CID62462519
Molecular FormulaC18H32N2
Molecular Weight276.47 g/mol
Exact Mass276.26
IUPAC NameN-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine
SMILESCCCCCN(Cc1ccc(CNCC)cc1)C(C)C
InChIInChI=1S/C18H32N2/c1-5-7-8-13-20(16(3)4)15-18-11-9-17(10-12-18)14-19-6-2/h9-12,16,19H,5-8,13-15H2,1-4H3
InChIKeyQILTXYNHGUCLBK-UHFFFAOYSA-N
XLogP4.20
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.47
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethyl)-N-[[4-(ethylaminomethyl)phenyl]methyl]propan-2-amine
CID 62412689
bis(N-benzyl-N-propan-2-ylhexadecan-1-amine);hydrobromide;hydrochloride
CID 173037592
N-[[6-(ethylaminomethyl)-2-pyridinyl]methyl]-N-propan-2-ylpentan-1-amine
CID 106906306
N-[[4-(methylaminomethyl)phenyl]methyl]-N-propan-2-ylpropan-1-amine
CID 62422195
N-[[3-(ethylaminomethyl)furan-2-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463764
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-(2-methylpropyl)pentan-3-amine
CID 79490766
N-[(6-hydrazinyl-3-pyridinyl)methyl]-N-propan-2-ylpentan-1-amine
CID 62244577
N-[[5-(ethylaminomethyl)-2-methylfuran-3-yl]methyl]-N-propan-2-ylpentan-1-amine
CID 62463058
N-[(3-bromo-4-fluorophenyl)methyl]-N-propan-2-ylpentan-1-amine
CID 55191844
N-methyl-4-[[pentyl(propan-2-yl)amino]methyl]pyridin-2-amine
CID 62466263
4-(ethylaminomethyl)-N-propan-2-yl-N-propylbenzenesulfonamide
CID 60823872
N-butyl-4-(ethylaminomethyl)-N-methylaniline
CID 43280719

Frequently Asked Questions

What is the IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
The IUPAC name of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine (CID 62462519) is N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine.
What is the SMILES notation for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
The canonical SMILES for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine is CCCCCN(Cc1ccc(CNCC)cc1)C(C)C.
What is the InChIKey of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
The InChIKey is QILTXYNHGUCLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32N2/c1-5-7-8-13-20(16(3)4)15-18-11-9-17(10-12-18)14-19-6-2/h9-12,16,19H,5-8,13-15H2,1-4H3.
What are the key properties of N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine?
N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine has a molecular weight of 276.47 g/mol, XLogP of 4.20, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(ethylaminomethyl)phenyl]methyl]-N-propan-2-ylpentan-1-amine is sourced from PubChem (CID 62462519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).