N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine

C18H29NO — CID 43495393

IUPACN-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-13-19-18(16-6-4-5-7-16)17-10-8-15(9-11-17)12-14-20-2/h8-11,16,18-19H,3-7,12-14H2,1-2H3
InChIKeyHGHNOMMZMXZFOH-UHFFFAOYSA-N
MW275.44 g/mol
LogP4.11
Rot. Bonds8

About N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine

N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine (PubChem CID 43495393) has the molecular formula C18H29NO and a molecular weight of 275.44 g/mol. Its IUPAC name is N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
PubChem CID43495393
Molecular FormulaC18H29NO
Molecular Weight275.44 g/mol
Exact Mass275.22
IUPAC NameN-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine
SMILESCCCNC(c1ccc(CCOC)cc1)C1CCCC1
InChIInChI=1S/C18H29NO/c1-3-13-19-18(16-6-4-5-7-16)17-10-8-15(9-11-17)12-14-20-2/h8-11,16,18-19H,3-7,12-14H2,1-2H3
InChIKeyHGHNOMMZMXZFOH-UHFFFAOYSA-N
XLogP4.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[4-(2-methoxyethyl)phenyl]-(oxan-3-yl)methyl]propan-1-amine
CID 63012897
N-[(4-butylphenyl)-cyclohexylmethyl]propan-1-amine
CID 63503869
N-[cyclopropyl-[4-(2-methoxyethyl)phenyl]methyl]ethanamine
CID 43489767
N-[cyclohexyl-(4-ethylphenyl)methyl]propan-1-amine
CID 43496590
1-cyclopropyl-1-[4-(2-methoxyethyl)phenyl]-N-methylmethanamine
CID 43482389
N-[cyclohexyl-(4-cyclopropyloxyphenyl)methyl]propan-1-amine
CID 114519278
4-[cycloheptyl(propylamino)methyl]-N,N-dimethylaniline
CID 105176331
cyclooctyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 65018593
N-[cyclopropyl-(4-propylphenyl)methyl]ethanamine
CID 43491617
cyclobutyl-[4-(2-methoxyethyl)phenyl]methanamine
CID 43198323
N-[[4-(2-methoxyethyl)phenyl]-(5-methyloxolan-2-yl)methyl]ethanamine
CID 81330130
N-[cycloheptyl-(4-fluoro-3-methoxyphenyl)methyl]propan-1-amine
CID 105027607

Frequently Asked Questions

What is the IUPAC name of N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine?
The IUPAC name of N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine (CID 43495393) is N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine is CCCNC(c1ccc(CCOC)cc1)C1CCCC1.
What is the InChIKey of N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine?
The InChIKey is HGHNOMMZMXZFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29NO/c1-3-13-19-18(16-6-4-5-7-16)17-10-8-15(9-11-17)12-14-20-2/h8-11,16,18-19H,3-7,12-14H2,1-2H3.
What are the key properties of N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine?
N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine has a molecular weight of 275.44 g/mol, XLogP of 4.11, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopentyl-[4-(2-methoxyethyl)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 43495393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).