1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine

C19H32N2 — CID 79063382

IUPAC1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(CC(N)C2(N(C)C)CCCCCC2)cc1C
InChIInChI=1S/C19H32N2/c1-15-9-10-17(13-16(15)2)14-18(20)19(21(3)4)11-7-5-6-8-12-19/h9-10,13,18H,5-8,11-12,14,20H2,1-4H3
InChIKeyOKVQVXMISDEDJS-UHFFFAOYSA-N
MW288.48 g/mol
LogP3.83
Rot. Bonds4

About 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine

1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine (PubChem CID 79063382) has the molecular formula C19H32N2 and a molecular weight of 288.48 g/mol. Its IUPAC name is 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine.

Molecular Properties

Compound Name1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
PubChem CID79063382
Molecular FormulaC19H32N2
Molecular Weight288.48 g/mol
Exact Mass288.26
IUPAC Name1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
SMILESCc1ccc(CC(N)C2(N(C)C)CCCCCC2)cc1C
InChIInChI=1S/C19H32N2/c1-15-9-10-17(13-16(15)2)14-18(20)19(21(3)4)11-7-5-6-8-12-19/h9-10,13,18H,5-8,11-12,14,20H2,1-4H3
InChIKeyOKVQVXMISDEDJS-UHFFFAOYSA-N
XLogP3.83
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-amino-2-(4-iodophenyl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081776
2-(3,4-dimethylphenyl)-1-(1-methylcyclohexyl)ethanamine
CID 106827638
1-[1-amino-2-(3-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066288
1-[1-amino-2-(5-fluoro-2-methylphenyl)ethyl]-N,N-dimethylcyclopentan-1-amine
CID 105374090
1-(1-amino-2-thiophen-3-ylethyl)-N,N-dimethylcyclopentan-1-amine
CID 79069750
1-[1-amino-2-(1-methylpyrazol-4-yl)ethyl]-N,N-dimethylcycloheptan-1-amine
CID 79081869
1-[1-amino-2-(2-chloro-5-fluorophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 102619079
1-[1-amino-2-(furan-2-yl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 83183452
1-[1-amino-2-(2-bromophenyl)ethyl]-N,N-dimethylcyclohexan-1-amine
CID 79066221
2-(3,4-dimethylphenyl)-1-(1-methoxy-4,4-dimethylcyclohexyl)ethanamine
CID 116769197
2-(3,4-dimethylphenyl)-1-(1-methoxycycloheptyl)-N-methylethanamine
CID 116770211
2-(3,4-dimethylphenyl)-1-(1-methoxycyclohexyl)-N-methylethanamine
CID 116763039

Frequently Asked Questions

What is the IUPAC name of 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The IUPAC name of 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine (CID 79063382) is 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine.
What is the SMILES notation for 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The canonical SMILES for 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine is Cc1ccc(CC(N)C2(N(C)C)CCCCCC2)cc1C.
What is the InChIKey of 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
The InChIKey is OKVQVXMISDEDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32N2/c1-15-9-10-17(13-16(15)2)14-18(20)19(21(3)4)11-7-5-6-8-12-19/h9-10,13,18H,5-8,11-12,14,20H2,1-4H3.
What are the key properties of 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine?
1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine has a molecular weight of 288.48 g/mol, XLogP of 3.83, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-amino-2-(3,4-dimethylphenyl)ethyl]-N,N-dimethylcycloheptan-1-amine is sourced from PubChem (CID 79063382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).