1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine

C18H29NO2 — CID 170640354

IUPAC1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine
SMILESCOC1(COc2ccc(C(N)C(C)(C)C)cc2)CCCC1
InChIInChI=1S/C18H29NO2/c1-17(2,3)16(19)14-7-9-15(10-8-14)21-13-18(20-4)11-5-6-12-18/h7-10,16H,5-6,11-13,19H2,1-4H3
InChIKeyBVLSIIHZVNUZNZ-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.07
Rot. Bonds5

About 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine

1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine (PubChem CID 170640354) has the molecular formula C18H29NO2 and a molecular weight of 291.44 g/mol. Its IUPAC name is 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine.

Molecular Properties

Compound Name1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine
PubChem CID170640354
Molecular FormulaC18H29NO2
Molecular Weight291.44 g/mol
Exact Mass291.22
IUPAC Name1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine
SMILESCOC1(COc2ccc(C(N)C(C)(C)C)cc2)CCCC1
InChIInChI=1S/C18H29NO2/c1-17(2,3)16(19)14-7-9-15(10-8-14)21-13-18(20-4)11-5-6-12-18/h7-10,16H,5-6,11-13,19H2,1-4H3
InChIKeyBVLSIIHZVNUZNZ-UHFFFAOYSA-N
XLogP4.07
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-amino-2-methyl-1-[4-[(1-methylcyclohexyl)methoxy]phenyl]propan-2-ol
CID 170640391
1-[4-[(1-methoxycyclobutyl)methoxy]phenyl]ethanone
CID 131961467
1-[[4-[(1R)-1-aminoethyl]phenoxy]methyl]cyclohexan-1-ol
CID 79004891
(1S)-2,2-dimethyl-1-(4-phenylmethoxyphenyl)propan-1-amine;hydrochloride
CID 171243441
methyl (2S)-2-(2,2-dimethylpropanoylamino)-2-[4-[(1-methylcyclopentyl)methoxy]phenyl]acetate
CID 176657258
(1R)-2,2-dimethyl-1-(4-propan-2-yloxyphenyl)propan-1-amine;hydrochloride
CID 171250029
[1-[(4-methoxyphenoxy)methyl]cyclopentyl]methanamine
CID 94686563
2-(1-methoxycyclobutyl)-N-[1-[4-(2-methylpropoxy)phenyl]ethyl]acetamide
CID 119047772
2-(1-methoxycyclobutyl)-1-naphthalen-2-ylethanamine
CID 103559265
(2,2-dimethylcyclohexyl)-(4-ethoxyphenyl)methanamine
CID 107176964
1-(4-ethoxyphenyl)-2-N,2-N-diethyl-2-methylbutane-1,2-diamine
CID 79069053
4-(1-amino-2,2-dimethylpropyl)aniline
CID 70658463

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine?
The IUPAC name of 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine (CID 170640354) is 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine.
What is the SMILES notation for 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine?
The canonical SMILES for 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine is COC1(COc2ccc(C(N)C(C)(C)C)cc2)CCCC1.
What is the InChIKey of 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine?
The InChIKey is BVLSIIHZVNUZNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO2/c1-17(2,3)16(19)14-7-9-15(10-8-14)21-13-18(20-4)11-5-6-12-18/h7-10,16H,5-6,11-13,19H2,1-4H3.
What are the key properties of 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine?
1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine has a molecular weight of 291.44 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-methoxycyclopentyl)methoxy]phenyl]-2,2-dimethylpropan-1-amine is sourced from PubChem (CID 170640354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).