2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline

C16H17ClN2 — CID 28721399

IUPAC2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
SMILESNc1cc(CN2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H17ClN2/c17-14-8-7-12(10-15(14)18)11-19-9-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,10H,3,5,9,11,18H2
InChIKeyKXANPIWCYUVPCH-UHFFFAOYSA-N
MW272.78 g/mol
LogP3.88
Rot. Bonds2

About 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline

2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline (PubChem CID 28721399) has the molecular formula C16H17ClN2 and a molecular weight of 272.78 g/mol. Its IUPAC name is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline.

Molecular Properties

Compound Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
PubChem CID28721399
Molecular FormulaC16H17ClN2
Molecular Weight272.78 g/mol
Exact Mass272.11
IUPAC Name2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline
SMILESNc1cc(CN2CCCc3ccccc32)ccc1Cl
InChIInChI=1S/C16H17ClN2/c17-14-8-7-12(10-15(14)18)11-19-9-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,10H,3,5,9,11,18H2
InChIKeyKXANPIWCYUVPCH-UHFFFAOYSA-N
XLogP3.88
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.78
LogP ≤ 53.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-amino-4-(2,3-dihydroindol-1-ylmethyl)phenol
CID 43375648
2-chloro-5-(2,3-dihydro-1,4-benzoxazin-4-ylmethyl)aniline
CID 117221511
N-(3,4-dichlorophenyl)-4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzamide
CID 99955766
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-fluorobenzoic acid
CID 106699040
[4-(2,3-dihydroindol-1-ylmethyl)phenyl]methanamine
CID 16793024
1-[(3-amino-4-chlorophenyl)methyl]-3H-indol-2-one
CID 43349881
5-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxyphenol
CID 82975067
1-[(2-chloro-5-nitrophenyl)methyl]-3,4-dihydro-2H-quinoline
CID 43350274
6-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methyl-1,3-benzothiazole
CID 39104953
1-[(4,6-dichloro-3-pyridinyl)methyl]-2,3,4,5-tetrahydro-1-benzazepine
CID 116519024
methyl 4-chloro-3-[[4-(3,4-dihydro-2H-quinolin-1-ylmethyl)benzoyl]amino]benzoate
CID 46771711
4-(3,4-dihydro-2H-quinolin-1-ylmethyl)-2-methoxybenzonitrile
CID 106787989

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline?
The IUPAC name of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline (CID 28721399) is 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline.
What is the SMILES notation for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline?
The canonical SMILES for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline is Nc1cc(CN2CCCc3ccccc32)ccc1Cl.
What is the InChIKey of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline?
The InChIKey is KXANPIWCYUVPCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN2/c17-14-8-7-12(10-15(14)18)11-19-9-3-5-13-4-1-2-6-16(13)19/h1-2,4,6-8,10H,3,5,9,11,18H2.
What are the key properties of 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline?
2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline has a molecular weight of 272.78 g/mol, XLogP of 3.88, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-5-(3,4-dihydro-2H-quinolin-1-ylmethyl)aniline is sourced from PubChem (CID 28721399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).