N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine

C15H24ClNO — CID 115215303

IUPACN-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)CNCCCl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-18-14-7-6-13(10-12(14)2)15(3,4)11-17-9-8-16/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyFZUUGEBFCMVDST-UHFFFAOYSA-N
MW269.82 g/mol
LogP3.50
Rot. Bonds7

About N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine

N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine (PubChem CID 115215303) has the molecular formula C15H24ClNO and a molecular weight of 269.82 g/mol. Its IUPAC name is N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
PubChem CID115215303
Molecular FormulaC15H24ClNO
Molecular Weight269.82 g/mol
Exact Mass269.15
IUPAC NameN-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine
SMILESCCOc1ccc(C(C)(C)CNCCCl)cc1C
InChIInChI=1S/C15H24ClNO/c1-5-18-14-7-6-13(10-12(14)2)15(3,4)11-17-9-8-16/h6-7,10,17H,5,8-9,11H2,1-4H3
InChIKeyFZUUGEBFCMVDST-UHFFFAOYSA-N
XLogP3.50
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.82
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]-N-methylmethanediamine
CID 115227492
N-(2-chloroethyl)-2-(4-ethoxyphenyl)-2-methylpropan-1-amine
CID 115215295
N-[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]acetamide
CID 115191437
N-(2-chloroethyl)-4-ethoxy-3-methylaniline
CID 115214594
[2-(4-ethoxy-3-methylphenyl)-2-methylpropyl]urea
CID 115168787
N-(chloromethyl)-2-(3,4-dimethylphenyl)-2-methylpropan-1-amine
CID 115263613
4-(4-chloro-2-methylbutan-2-yl)-1,2-diethoxybenzene
CID 79838006
N-(2-chloroethyl)-2-(4-methoxy-2,5-dimethylphenyl)-2-methylpropan-1-amine
CID 115215294
2-(1,3-benzoxazol-6-yl)-N-(2-chloroethyl)-2-methylpropan-1-amine
CID 115215321
N-(3-chloropropyl)-2-methyl-2-(4-methylphenyl)propan-1-amine
CID 115216004
4-[[2-(4-methoxy-3-methylphenyl)-2-methylpropyl]amino]butanenitrile
CID 115232114
N'-(4-ethoxy-3-methylphenyl)-N-methylethane-1,2-diamine
CID 115195723

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine?
The IUPAC name of N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine (CID 115215303) is N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine.
What is the SMILES notation for N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine?
The canonical SMILES for N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine is CCOc1ccc(C(C)(C)CNCCCl)cc1C.
What is the InChIKey of N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine?
The InChIKey is FZUUGEBFCMVDST-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClNO/c1-5-18-14-7-6-13(10-12(14)2)15(3,4)11-17-9-8-16/h6-7,10,17H,5,8-9,11H2,1-4H3.
What are the key properties of N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine?
N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine has a molecular weight of 269.82 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-2-(4-ethoxy-3-methylphenyl)-2-methylpropan-1-amine is sourced from PubChem (CID 115215303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).