4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

C14H23ClN2O2 — CID 55152229

IUPAC4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H23ClN2O2/c1-18-8-3-6-17(7-9-19-2)13-5-4-12(11-16)14(15)10-13/h4-5,10H,3,6-9,11,16H2,1-2H3
InChIKeyFALBKSVLNNZWQT-UHFFFAOYSA-N
MW286.80 g/mol
LogP2.29
Rot. Bonds9

About 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline

4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (PubChem CID 55152229) has the molecular formula C14H23ClN2O2 and a molecular weight of 286.80 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
PubChem CID55152229
Molecular FormulaC14H23ClN2O2
Molecular Weight286.80 g/mol
Exact Mass286.14
IUPAC Name4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
SMILESCOCCCN(CCOC)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H23ClN2O2/c1-18-8-3-6-17(7-9-19-2)13-5-4-12(11-16)14(15)10-13/h4-5,10H,3,6-9,11,16H2,1-2H3
InChIKeyFALBKSVLNNZWQT-UHFFFAOYSA-N
XLogP2.29
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.80
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(aminomethyl)-3-chloro-N-(2-hydroxyethyl)anilino]ethanol
CID 62946184
2-(aminomethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)pyridin-4-amine
CID 62284664
4-(aminomethyl)-3-chloro-N-(1-cyclopropylethyl)-N-(2-methoxyethyl)aniline
CID 62944699
2-methoxy-4-N-(2-methoxyethyl)-4-N-(3-methoxypropyl)benzene-1,4-diamine
CID 63675678
2-[2-amino-5-[2-methoxyethyl(3-methoxypropyl)amino]phenyl]acetonitrile
CID 102624100
4-(aminomethyl)-3-chloro-N-(3-fluorophenyl)-N-methylaniline
CID 113230359
4-[bis(2-methoxyethyl)amino]-2-chloro-N'-hydroxybenzenecarboximidamide
CID 76981602
2-(aminomethyl)-4-chloro-N,N-bis(2-methoxyethyl)aniline
CID 62493985
4-(1-aminoethyl)-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline
CID 54984969
[2-chloro-4-(2-methoxyethylsulfanyl)phenyl]methanamine
CID 62946264
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 62945842
4-(aminomethyl)-N-cyclopropyl-N-(2-methoxyethyl)-3-methylaniline
CID 62135216

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline (CID 55152229) is 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is COCCCN(CCOC)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
The InChIKey is FALBKSVLNNZWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23ClN2O2/c1-18-8-3-6-17(7-9-19-2)13-5-4-12(11-16)14(15)10-13/h4-5,10H,3,6-9,11,16H2,1-2H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline?
4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline has a molecular weight of 286.80 g/mol, XLogP of 2.29, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(2-methoxyethyl)-N-(3-methoxypropyl)aniline is sourced from PubChem (CID 55152229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).