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

C18H27ClN2 — CID 81159789

IUPAC4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(CC2CC2)CC2CC2)c(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-2-16(20)9-15-7-8-18(17(19)10-15)21(11-13-3-4-13)12-14-5-6-14/h7-8,10,13-14,16H,2-6,9,11-12,20H2,1H3
InChIKeyDHRBUILUISAEGQ-UHFFFAOYSA-N
MW306.88 g/mol
LogP4.25
Rot. Bonds8

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

4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline (PubChem CID 81159789) has the molecular formula C18H27ClN2 and a molecular weight of 306.88 g/mol. Its IUPAC name is 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline.

Molecular Properties

Compound Name4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
PubChem CID81159789
Molecular FormulaC18H27ClN2
Molecular Weight306.88 g/mol
Exact Mass306.19
IUPAC Name4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
SMILESCCC(N)Cc1ccc(N(CC2CC2)CC2CC2)c(Cl)c1
InChIInChI=1S/C18H27ClN2/c1-2-16(20)9-15-7-8-18(17(19)10-15)21(11-13-3-4-13)12-14-5-6-14/h7-8,10,13-14,16H,2-6,9,11-12,20H2,1H3
InChIKeyDHRBUILUISAEGQ-UHFFFAOYSA-N
XLogP4.25
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.88
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2-aminobutyl)-2-chloro-N-cyclopropyl-N-methylaniline
CID 81165762
4-(2-aminoethyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline
CID 81166471
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-ethylaniline
CID 107083795
4-(2-aminobutyl)-2-chloro-N-ethyl-N-propan-2-ylaniline
CID 81165840
4-(2-aminobutyl)-2-chloro-N-methyl-N-(2-methylbutyl)aniline
CID 81166065
4-(bromomethyl)-2-chloro-N-(cyclopropylmethyl)-N-propylaniline
CID 107081391
4-(2-aminobutyl)-2-chloro-N-(2-methylpropyl)-N-propan-2-ylaniline
CID 81165942
4-(2-aminobutyl)-N-(cyclobutylmethyl)-N,2-dimethylaniline
CID 63794503
1-(3,4-dichlorophenyl)butan-2-amine;hydrochloride
CID 170888463
4-(2-aminobutyl)-2-chloro-N-(3,3-dimethylbutan-2-yl)-N-methylaniline
CID 81166458
1-(3-chloro-4-fluorophenyl)butan-2-amine
CID 79020957
2-chloro-N-(cyclopropylmethyl)-N-ethyl-4-[(2-methoxyethylamino)methyl]aniline
CID 81149933

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
The IUPAC name of 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline (CID 81159789) is 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline.
What is the SMILES notation for 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
The canonical SMILES for 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline is CCC(N)Cc1ccc(N(CC2CC2)CC2CC2)c(Cl)c1.
What is the InChIKey of 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
The InChIKey is DHRBUILUISAEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27ClN2/c1-2-16(20)9-15-7-8-18(17(19)10-15)21(11-13-3-4-13)12-14-5-6-14/h7-8,10,13-14,16H,2-6,9,11-12,20H2,1H3.
What are the key properties of 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline?
4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline has a molecular weight of 306.88 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminobutyl)-2-chloro-N,N-bis(cyclopropylmethyl)aniline is sourced from PubChem (CID 81159789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).