4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline

C16H23ClN2 — CID 81166471

IUPAC4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
SMILESNCCc1ccc(N(CC2CC2)CC2CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c17-15-9-12(7-8-18)5-6-16(15)19(10-13-1-2-13)11-14-3-4-14/h5-6,9,13-14H,1-4,7-8,10-11,18H2
InChIKeyPHBREROPRBBCMT-UHFFFAOYSA-N
MW278.83 g/mol
LogP3.47
Rot. Bonds7

About 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline

4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline (PubChem CID 81166471) has the molecular formula C16H23ClN2 and a molecular weight of 278.83 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
PubChem CID81166471
Molecular FormulaC16H23ClN2
Molecular Weight278.83 g/mol
Exact Mass278.15
IUPAC Name4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
SMILESNCCc1ccc(N(CC2CC2)CC2CC2)c(Cl)c1
InChIInChI=1S/C16H23ClN2/c17-15-9-12(7-8-18)5-6-16(15)19(10-13-1-2-13)11-14-3-4-14/h5-6,9,13-14H,1-4,7-8,10-11,18H2
InChIKeyPHBREROPRBBCMT-UHFFFAOYSA-N
XLogP3.47
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.83
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81159789
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083795
4-(2-aminoethyl)-2-chloro-N-ethyl-N-propylaniline
CID 81166516
4-(2-aminoethyl)-2-chloro-N,N-bis(2-methoxyethyl)aniline
CID 81166238
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 107081391
4-(2-aminoethyl)-N-(cyclobutylmethyl)-N-ethyl-2-methylaniline
CID 107402420
4-(2-aminoethyl)-2-chloro-N-methyl-N-(oxan-2-ylmethyl)aniline
CID 81165783
4-(2-aminoethyl)-N-(cyclopentylmethyl)-2-fluoro-N-methylaniline
CID 63783457
4-(2-aminoethyl)-3-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 114064874
4-(2-aminoethyl)-2-chloro-N-methyl-N-(3-methylphenyl)aniline
CID 81166461
4-chloro-1-N,1-N-bis(cyclopropylmethyl)-5-fluorobenzene-1,2-diamine
CID 66077466
2-chloro-N-(cyclopropylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]aniline
CID 81149933

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
The IUPAC name of 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline (CID 81166471) is 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline.
What is the SMILES notation for 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
The canonical SMILES for 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline is NCCc1ccc(N(CC2CC2)CC2CC2)c(Cl)c1.
What is the InChIKey of 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
The InChIKey is PHBREROPRBBCMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2/c17-15-9-12(7-8-18)5-6-16(15)19(10-13-1-2-13)11-14-3-4-14/h5-6,9,13-14H,1-4,7-8,10-11,18H2.
What are the key properties of 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline has a molecular weight of 278.83 g/mol, XLogP of 3.47, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline is sourced from PubChem (CID 81166471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).