4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine

C18H29NO — CID 145217090

IUPAC4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine
SMILESCC(C)CC(CN)c1ccc(OC2(C)CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)12-16(13-19)15-6-8-17(9-7-15)20-18(3)10-4-5-11-18/h6-9,14,16H,4-5,10-13,19H2,1-3H3
InChIKeySDNTUONPYZHUCW-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.49
Rot. Bonds6

About 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine

4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine (PubChem CID 145217090) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine.

Molecular Properties

Compound Name4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine
PubChem CID145217090
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC Name4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine
SMILESCC(C)CC(CN)c1ccc(OC2(C)CCCC2)cc1
InChIInChI=1S/C18H29NO/c1-14(2)12-16(13-19)15-6-8-17(9-7-15)20-18(3)10-4-5-11-18/h6-9,14,16H,4-5,10-13,19H2,1-3H3
InChIKeySDNTUONPYZHUCW-UHFFFAOYSA-N
XLogP4.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(1,2-diiodoethyl)-4-(1-methylcyclopentyl)oxybenzene
CID 146783563
1-methyl-1-phenoxycycloheptane
CID 101026780
1-ethenyl-4-(1-methylcyclopentyl)oxybenzene
CID 19350374
2-(4-methoxyphenyl)propane-1,3-diamine
CID 20546608
2-[4-(1-methylcyclopentyl)oxyphenyl]acetic acid
CID 117045788
2-(3-tert-butyl-4-methoxyphenyl)-4-methylpentan-1-amine
CID 112509381
(2R)-4-methyl-2-(3-propan-2-ylphenyl)pentan-1-amine
CID 146290078
2-[2-(1-methylcyclopentyl)oxyphenyl]ethanamine
CID 117095350
4-butan-2-yl-2-(1-methylcyclopentyl)oxy-1-(trifluoromethoxy)benzene
CID 170539185
1-(1-chloro-4-methylpentan-2-yl)-4-ethoxybenzene
CID 112508540
(2S)-2-(4-methoxyphenyl)butan-1-amine
CID 15215732
2-[1-(4-butan-2-ylphenoxy)cyclobutyl]ethanamine
CID 107668404

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine?
The IUPAC name of 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine (CID 145217090) is 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine.
What is the SMILES notation for 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine?
The canonical SMILES for 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine is CC(C)CC(CN)c1ccc(OC2(C)CCCC2)cc1.
What is the InChIKey of 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine?
The InChIKey is SDNTUONPYZHUCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-14(2)12-16(13-19)15-6-8-17(9-7-15)20-18(3)10-4-5-11-18/h6-9,14,16H,4-5,10-13,19H2,1-3H3.
What are the key properties of 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine?
4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(1-methylcyclopentyl)oxyphenyl]pentan-1-amine is sourced from PubChem (CID 145217090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).