5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine

C16H22ClNO — CID 81300280

IUPAC5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCCCOCC1CC1)C2
InChIInChI=1S/C16H22ClNO/c17-15-5-4-13-9-16(10-14(13)8-15)18-6-1-7-19-11-12-2-3-12/h4-5,8,12,16,18H,1-3,6-7,9-11H2
InChIKeyMQLLLEHOKHPUIL-UHFFFAOYSA-N
MW279.81 g/mol
LogP3.21
Rot. Bonds7

About 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine

5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine (PubChem CID 81300280) has the molecular formula C16H22ClNO and a molecular weight of 279.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine.

Molecular Properties

Compound Name5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
PubChem CID81300280
Molecular FormulaC16H22ClNO
Molecular Weight279.81 g/mol
Exact Mass279.14
IUPAC Name5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine
SMILESClc1ccc2c(c1)CC(NCCCOCC1CC1)C2
InChIInChI=1S/C16H22ClNO/c17-15-5-4-13-9-16(10-14(13)8-15)18-6-1-7-19-11-12-2-3-12/h4-5,8,12,16,18H,1-3,6-7,9-11H2
InChIKeyMQLLLEHOKHPUIL-UHFFFAOYSA-N
XLogP3.21
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.81
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-N-(3-cyclohexyloxypropyl)-2,3-dihydro-1H-inden-2-amine
CID 115348711
5-chloro-N-(2-methoxyethyl)-2,3-dihydro-1H-inden-2-amine
CID 81301364
5-chloro-N-hexyl-2,3-dihydro-1H-inden-2-amine
CID 113291766
5-chloro-N-(2-cyclohexylethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348932
5-chloro-N-[2-[2-(dimethylamino)ethoxy]ethyl]-2,3-dihydro-1H-inden-2-amine
CID 107094112
5-chloro-N-(cyclohexylmethyl)-2,3-dihydro-1H-inden-2-amine
CID 115348749
6-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,2-dimethyl-1,3-dihydroinden-1-amine
CID 83067284
5-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]pentanamide
CID 114161759
N-(5-chloro-2,3-dihydro-1H-inden-2-yl)-N'-methyl-N'-propan-2-ylpropane-1,3-diamine
CID 103776963
N-[3-[(5-chloro-2,3-dihydro-1H-inden-2-yl)amino]propyl]methanesulfonamide
CID 103776642
3-(cyclopropylmethoxy)-N-[(2,5-dichlorophenyl)methyl]propan-1-amine
CID 103844888
5-chloro-3-[3-(cyclopropylmethoxy)propylamino]-1,3-dihydroindol-2-one
CID 43206785

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The IUPAC name of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine (CID 81300280) is 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine.
What is the SMILES notation for 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The canonical SMILES for 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine is Clc1ccc2c(c1)CC(NCCCOCC1CC1)C2.
What is the InChIKey of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
The InChIKey is MQLLLEHOKHPUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClNO/c17-15-5-4-13-9-16(10-14(13)8-15)18-6-1-7-19-11-12-2-3-12/h4-5,8,12,16,18H,1-3,6-7,9-11H2.
What are the key properties of 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine?
5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine has a molecular weight of 279.81 g/mol, XLogP of 3.21, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(cyclopropylmethoxy)propyl]-2,3-dihydro-1H-inden-2-amine is sourced from PubChem (CID 81300280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).