N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine

C19H30FN — CID 81034748

IUPACN-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C2CCCCCC2CNCC(C)C)ccc1F
InChIInChI=1S/C19H30FN/c1-14(2)12-21-13-17-7-5-4-6-8-18(17)16-9-10-19(20)15(3)11-16/h9-11,14,17-18,21H,4-8,12-13H2,1-3H3
InChIKeyBCRCZRPFZKIMFU-UHFFFAOYSA-N
MW291.45 g/mol
LogP5.04
Rot. Bonds5

About N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine

N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine (PubChem CID 81034748) has the molecular formula C19H30FN and a molecular weight of 291.45 g/mol. Its IUPAC name is N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
PubChem CID81034748
Molecular FormulaC19H30FN
Molecular Weight291.45 g/mol
Exact Mass291.24
IUPAC NameN-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine
SMILESCc1cc(C2CCCCCC2CNCC(C)C)ccc1F
InChIInChI=1S/C19H30FN/c1-14(2)12-21-13-17-7-5-4-6-8-18(17)16-9-10-19(20)15(3)11-16/h9-11,14,17-18,21H,4-8,12-13H2,1-3H3
InChIKeyBCRCZRPFZKIMFU-UHFFFAOYSA-N
XLogP5.04
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500291.45
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

N-[[2-(4-fluoro-3-methylphenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027541
N-[[2-(4-chlorophenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81023967
N-[[2-(3-fluoro-4-methoxyphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81027732
N-[[2-(2,6-difluoro-3-methylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 82805177
1-[2-(4-fluoro-3-methylphenyl)cyclopentyl]-N-methylmethanamine
CID 81034558
N-[[2-(3,5-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81028073
N-[[2-(2-fluoro-4,6-dimethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 106882895
N-[[2-(4-ethylphenyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024275
2-methyl-N-[[2-(5-methyl-3-pyridinyl)cycloheptyl]methyl]propan-1-amine
CID 115375678
N-[[2-(5-fluoro-3-pyridinyl)cyclohexyl]methyl]-2-methylpropan-1-amine
CID 81024271
2-methyl-N-[(2-pyrimidin-5-ylcycloheptyl)methyl]propan-1-amine
CID 81025825
N-[[2-(2,6-difluorophenyl)cyclopentyl]methyl]-2-methylpropan-1-amine
CID 81027831

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine (CID 81034748) is N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine is Cc1cc(C2CCCCCC2CNCC(C)C)ccc1F.
What is the InChIKey of N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
The InChIKey is BCRCZRPFZKIMFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30FN/c1-14(2)12-21-13-17-7-5-4-6-8-18(17)16-9-10-19(20)15(3)11-16/h9-11,14,17-18,21H,4-8,12-13H2,1-3H3.
What are the key properties of N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine?
N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine has a molecular weight of 291.45 g/mol, XLogP of 5.04, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluoro-3-methylphenyl)cycloheptyl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 81034748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).