N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine

C17H26FN — CID 63446253

IUPACN-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(NCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN/c1-17(2,3)16(14-8-10-15(18)11-9-14)19-12-13-6-4-5-7-13/h8-11,13,16,19H,4-7,12H2,1-3H3
InChIKeyDXEKIZWKRPMUDN-UHFFFAOYSA-N
MW263.40 g/mol
LogP4.69
Rot. Bonds4

About N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine

N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine (PubChem CID 63446253) has the molecular formula C17H26FN and a molecular weight of 263.40 g/mol. Its IUPAC name is N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound NameN-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
PubChem CID63446253
Molecular FormulaC17H26FN
Molecular Weight263.40 g/mol
Exact Mass263.20
IUPAC NameN-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine
SMILESCC(C)(C)C(NCC1CCCC1)c1ccc(F)cc1
InChIInChI=1S/C17H26FN/c1-17(2,3)16(14-8-10-15(18)11-9-14)19-12-13-6-4-5-7-13/h8-11,13,16,19H,4-7,12H2,1-3H3
InChIKeyDXEKIZWKRPMUDN-UHFFFAOYSA-N
XLogP4.69
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.40
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(4-fluorophenyl)-2,2-dimethyl-N-(oxan-4-ylmethyl)propan-1-amine
CID 62386506
N-(2-cyclobutylethyl)-1-(4-fluorophenyl)ethanamine
CID 115688583
N-(cyclopropylmethyl)-1-(4-fluorophenyl)propan-1-amine
CID 43190691
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-2-piperidin-4-ylacetamide;hydrochloride
CID 119724701
(1S)-1-(4-fluorophenyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106634173
N-(1-cyano-1-cyclopropylethyl)-2-[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 47070117
1-cyclopropyl-N-(cyclopropylmethyl)-1-(4-fluorophenyl)methanamine
CID 43756811
2-[[[1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]methyl]phenol
CID 43735061
N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]octan-1-amine
CID 43735025
2-[[(1R)-1-(4-fluorophenyl)-2,2-dimethylpropyl]amino]acetamide
CID 94197027
1-cyclobutyl-1-(4-fluorophenyl)-N-(piperidin-4-ylmethyl)methanamine
CID 119932506
3-N-[1-(4-fluorophenyl)-2,2-dimethylpropyl]cyclopentane-1,3-diamine
CID 79461883

Frequently Asked Questions

What is the IUPAC name of N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The IUPAC name of N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine (CID 63446253) is N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine.
What is the SMILES notation for N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The canonical SMILES for N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine is CC(C)(C)C(NCC1CCCC1)c1ccc(F)cc1.
What is the InChIKey of N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
The InChIKey is DXEKIZWKRPMUDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26FN/c1-17(2,3)16(14-8-10-15(18)11-9-14)19-12-13-6-4-5-7-13/h8-11,13,16,19H,4-7,12H2,1-3H3.
What are the key properties of N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine?
N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine has a molecular weight of 263.40 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopentylmethyl)-1-(4-fluorophenyl)-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 63446253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).