N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline

C18H22ClNO — CID 43750406

IUPACN-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-17(14-9-7-10-16(19)12-14)20-18-11-6-5-8-15(18)13-21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyPHQGFHOJFDYOHU-UHFFFAOYSA-N
MW303.83 g/mol
LogP5.44
Rot. Bonds7

About N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline

N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline (PubChem CID 43750406) has the molecular formula C18H22ClNO and a molecular weight of 303.83 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
PubChem CID43750406
Molecular FormulaC18H22ClNO
Molecular Weight303.83 g/mol
Exact Mass303.14
IUPAC NameN-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline
SMILESCCOCc1ccccc1NC(CC)c1cccc(Cl)c1
InChIInChI=1S/C18H22ClNO/c1-3-17(14-9-7-10-16(19)12-14)20-18-11-6-5-8-15(18)13-21-4-2/h5-12,17,20H,3-4,13H2,1-2H3
InChIKeyPHQGFHOJFDYOHU-UHFFFAOYSA-N
XLogP5.44
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.83
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)propyl]-2-methoxyaniline
CID 43109420
N-[1-(3-chlorophenyl)propyl]-2,3-dimethylaniline
CID 43097470
N-[1-(3-chlorophenyl)propyl]-2,3-difluoroaniline
CID 63452522
1-(3-chlorophenyl)-N-(3-ethoxypropyl)propan-1-amine
CID 43196151
N-[1-(3-chlorophenyl)propyl]-2,4-dimethylaniline
CID 43108475
2-(ethoxymethyl)-N-[1-(3-fluorophenyl)ethyl]aniline
CID 43750446
[2-[1-(3-bromophenyl)propylamino]phenyl]methanol
CID 43790534
1-(3-chlorophenyl)-N-[(2-ethoxyphenyl)methyl]propan-1-amine
CID 43673993
N-[1-(3-bromophenyl)propyl]-2-ethylaniline
CID 43764541
1-(3-chlorophenyl)-N-methoxypropan-1-amine
CID 82707450
2-bromo-N-[1-(3-chlorophenyl)propyl]-4-methylaniline
CID 43107792
1-(3-chlorophenyl)-N-(3-methylsulfanylpropyl)propan-1-amine
CID 43673971

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline?
The IUPAC name of N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline (CID 43750406) is N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline.
What is the SMILES notation for N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline?
The canonical SMILES for N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline is CCOCc1ccccc1NC(CC)c1cccc(Cl)c1.
What is the InChIKey of N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline?
The InChIKey is PHQGFHOJFDYOHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClNO/c1-3-17(14-9-7-10-16(19)12-14)20-18-11-6-5-8-15(18)13-21-4-2/h5-12,17,20H,3-4,13H2,1-2H3.
What are the key properties of N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline?
N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline has a molecular weight of 303.83 g/mol, XLogP of 5.44, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-chlorophenyl)propyl]-2-(ethoxymethyl)aniline is sourced from PubChem (CID 43750406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).