N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

C15H21NO — CID 43512150

IUPACN-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCc1cc2c(cc1C)C(NC1CC1)CCCO2
InChIInChI=1S/C15H21NO/c1-10-8-13-14(16-12-5-6-12)4-3-7-17-15(13)9-11(10)2/h8-9,12,14,16H,3-7H2,1-2H3
InChIKeyORVVMJGKUGZUAA-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.27
Rot. Bonds2

About N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine

N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (PubChem CID 43512150) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.

Molecular Properties

Compound NameN-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
PubChem CID43512150
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC NameN-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine
SMILESCc1cc2c(cc1C)C(NC1CC1)CCCO2
InChIInChI=1S/C15H21NO/c1-10-8-13-14(16-12-5-6-12)4-3-7-17-15(13)9-11(10)2/h8-9,12,14,16H,3-7H2,1-2H3
InChIKeyORVVMJGKUGZUAA-UHFFFAOYSA-N
XLogP3.27
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-dimethylphenoxy)-N-(1-phenylethyl)-1-butanamine
CID 2935293
(1S)-N-[(4-methoxy-2,3-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 58035525
(1S)-N-[(4-methoxy-2,5-dimethylphenyl)methyl]-2-phenylcyclopropan-1-amine
CID 58035544
(1S)-N-[(2-methoxyphenyl)methyl]-2-(4-phenylmethoxyphenyl)cyclopropan-1-amine
CID 58035556
8-Methoxy-2,3,4,5-tetrahydro-1H-benzo(c)azepine
CID 15496954
N-Benzyl-(6-butoxy-2-naphthyl)-2-aminopropane
CID 44590783
N-(4-methoxy-2,5-dimethylbenzyl)cyclohexanamine
CID 775174
3-(2,6-dimethylphenoxy)-N-[(3-methoxyphenyl)methyl]propan-1-amine
CID 122574296
7,8-Dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine--hydrogen chloride (1/1)
CID 41727
1-Benzoxepin-5-amine, 2,3,4,5-tetrahydro-7-methyl-N-(p-methylphenethyl)-, hydrochloride
CID 41733
(7-Methyl-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)methanimidic acid
CID 3043713
N-(sec-butyl)-4-(5-isopropyl-2-methylphenoxy)-1-butanamine oxalate
CID 2934389

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The IUPAC name of N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine (CID 43512150) is N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine.
What is the SMILES notation for N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The canonical SMILES for N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is Cc1cc2c(cc1C)C(NC1CC1)CCCO2.
What is the InChIKey of N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
The InChIKey is ORVVMJGKUGZUAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-10-8-13-14(16-12-5-6-12)4-3-7-17-15(13)9-11(10)2/h8-9,12,14,16H,3-7H2,1-2H3.
What are the key properties of N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine?
N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine has a molecular weight of 231.34 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-7,8-dimethyl-2,3,4,5-tetrahydro-1-benzoxepin-5-amine is sourced from PubChem (CID 43512150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).