4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline

C14H21ClN2 — CID 62945842

IUPAC4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-2-7-17(10-11-3-4-11)13-6-5-12(9-16)14(15)8-13/h5-6,8,11H,2-4,7,9-10,16H2,1H3
InChIKeyPNQSCZQRCBXDFR-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.43
Rot. Bonds6

About 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline

4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline (PubChem CID 62945842) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline.

Molecular Properties

Compound Name4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
PubChem CID62945842
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline
SMILESCCCN(CC1CC1)c1ccc(CN)c(Cl)c1
InChIInChI=1S/C14H21ClN2/c1-2-7-17(10-11-3-4-11)13-6-5-12(9-16)14(15)8-13/h5-6,8,11H,2-4,7,9-10,16H2,1H3
InChIKeyPNQSCZQRCBXDFR-UHFFFAOYSA-N
XLogP3.43
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The IUPAC name of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline (CID 62945842) is 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline.
What is the SMILES notation for 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The canonical SMILES for 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline is CCCN(CC1CC1)c1ccc(CN)c(Cl)c1.
What is the InChIKey of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
The InChIKey is PNQSCZQRCBXDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2/c1-2-7-17(10-11-3-4-11)13-6-5-12(9-16)14(15)8-13/h5-6,8,11H,2-4,7,9-10,16H2,1H3.
What are the key properties of 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline?
4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline has a molecular weight of 252.79 g/mol, XLogP of 3.43, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-3-chloro-N-(cyclopropylmethyl)-N-propylaniline is sourced from PubChem (CID 62945842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).