N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine

C14H21NO — CID 62595893

IUPACN-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C14H21NO/c1-4-15-10-14(7-8-14)12-6-5-11(2)13(9-12)16-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyOZWKUSQNLCQZDU-UHFFFAOYSA-N
MW219.33 g/mol
LogP2.64
Rot. Bonds5

About N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine

N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine (PubChem CID 62595893) has the molecular formula C14H21NO and a molecular weight of 219.33 g/mol. Its IUPAC name is N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
PubChem CID62595893
Molecular FormulaC14H21NO
Molecular Weight219.33 g/mol
Exact Mass219.16
IUPAC NameN-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine
SMILESCCNCC1(c2ccc(C)c(OC)c2)CC1
InChIInChI=1S/C14H21NO/c1-4-15-10-14(7-8-14)12-6-5-11(2)13(9-12)16-3/h5-6,9,15H,4,7-8,10H2,1-3H3
InChIKeyOZWKUSQNLCQZDU-UHFFFAOYSA-N
XLogP2.64
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methyl]ethanamine
CID 65003229
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]-2-methylpropan-2-amine
CID 65008450
N-[[4-(3-methoxy-4-methylphenyl)oxan-4-yl]methyl]propan-2-amine
CID 62596439
1-[3-ethyl-1-(3-methoxy-4-methylphenyl)cyclobutyl]-N-methylmethanamine
CID 64998176
N-[[5-(3-methoxy-4-methylphenyl)spiro[2.3]hexan-5-yl]methyl]cyclopropanamine
CID 65008399
4-(1-butan-2-ylcyclopropyl)-2-methoxy-1-methylbenzene
CID 171099345
N-[[1-(4-methoxyphenyl)cycloheptyl]methyl]ethanamine
CID 62596968
N-[[1-(4-fluorophenyl)cyclopropyl]methyl]ethanamine
CID 62594197
2-methoxy-4-[1-(methylaminomethyl)cyclopropyl]phenol
CID 105425961
[2-(3-methoxy-4-methylphenyl)spiro[3.4]octan-2-yl]methanamine
CID 65002969
N-[[1-(3-methoxy-4-methylphenyl)-3-propylcyclobutyl]methyl]propan-2-amine
CID 65010957
N-[[1-(3-methylphenyl)cyclobutyl]methyl]ethanamine
CID 62596821

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine?
The IUPAC name of N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine (CID 62595893) is N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine.
What is the SMILES notation for N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine?
The canonical SMILES for N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine is CCNCC1(c2ccc(C)c(OC)c2)CC1.
What is the InChIKey of N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine?
The InChIKey is OZWKUSQNLCQZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO/c1-4-15-10-14(7-8-14)12-6-5-11(2)13(9-12)16-3/h5-6,9,15H,4,7-8,10H2,1-3H3.
What are the key properties of N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine?
N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine has a molecular weight of 219.33 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-methoxy-4-methylphenyl)cyclopropyl]methyl]ethanamine is sourced from PubChem (CID 62595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).