2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline

C17H27ClN2 — CID 63552442

IUPAC2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
SMILESCN(c1cccc(Cl)c1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)19-12-14-15(18)10-7-11-16(14)20(4)13-8-5-6-9-13/h7,10-11,13,19H,5-6,8-9,12H2,1-4H3
InChIKeyRQJFDBZZNLXBET-UHFFFAOYSA-N
MW294.87 g/mol
LogP4.61
Rot. Bonds4

About 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline

2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline (PubChem CID 63552442) has the molecular formula C17H27ClN2 and a molecular weight of 294.87 g/mol. Its IUPAC name is 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline.

Molecular Properties

Compound Name2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
PubChem CID63552442
Molecular FormulaC17H27ClN2
Molecular Weight294.87 g/mol
Exact Mass294.19
IUPAC Name2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline
SMILESCN(c1cccc(Cl)c1CNC(C)(C)C)C1CCCC1
InChIInChI=1S/C17H27ClN2/c1-17(2,3)19-12-14-15(18)10-7-11-16(14)20(4)13-8-5-6-9-13/h7,10-11,13,19H,5-6,8-9,12H2,1-4H3
InChIKeyRQJFDBZZNLXBET-UHFFFAOYSA-N
XLogP4.61
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.87
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-chloro-N-cyclopropyl-2-[(cyclopropylamino)methyl]-N-methylaniline
CID 43281657
N-[2-[(tert-butylamino)methyl]phenyl]-N-methylcycloheptanamine
CID 63552828
2-[(tert-butylamino)methyl]-3-chloro-N-(cyclopropylmethyl)-N-propan-2-ylaniline
CID 63551010
2,3-dichloro-N-cyclopentyl-N-methylaniline
CID 66960790
N'-[2-[(tert-butylamino)methyl]-3-chlorophenyl]-N,N,N'-trimethylpropane-1,3-diamine
CID 63698868
2-[(tert-butylamino)methyl]-3-chloro-N-methyl-N-(1-methylsulfanylbutan-2-yl)aniline
CID 115986284
2-[2-[(tert-butylamino)methyl]-3-chloro-N-methylanilino]-N,N-dimethylacetamide
CID 63060390
3-chloro-1-N-cyclohexyl-1-N-methylbenzene-1,2-diamine
CID 104833893
2-(aminomethyl)-3-chloro-N-methyl-N-(4-methylcyclohexyl)aniline
CID 61437395
2-[2-[(tert-butylamino)methyl]-3-chloro-N-propan-2-ylanilino]acetamide
CID 63072064
N-[[2-chloro-6-(4-methylcyclohexyl)oxyphenyl]methyl]-2-methylpropan-2-amine
CID 114319831
3-[(tert-butylamino)methyl]-N-cyclohexyl-N-methylpyridin-4-amine
CID 81249277

Frequently Asked Questions

What is the IUPAC name of 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline?
The IUPAC name of 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline (CID 63552442) is 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline.
What is the SMILES notation for 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline?
The canonical SMILES for 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline is CN(c1cccc(Cl)c1CNC(C)(C)C)C1CCCC1.
What is the InChIKey of 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline?
The InChIKey is RQJFDBZZNLXBET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27ClN2/c1-17(2,3)19-12-14-15(18)10-7-11-16(14)20(4)13-8-5-6-9-13/h7,10-11,13,19H,5-6,8-9,12H2,1-4H3.
What are the key properties of 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline?
2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline has a molecular weight of 294.87 g/mol, XLogP of 4.61, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(tert-butylamino)methyl]-3-chloro-N-cyclopentyl-N-methylaniline is sourced from PubChem (CID 63552442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).