N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine

C16H25NO — CID 43560086

IUPACN-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OCC1CC1
InChIInChI=1S/C16H25NO/c1-11(2)17-9-15-7-12(3)16(13(4)8-15)18-10-14-5-6-14/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyKBBHHQVUIXJMQX-UHFFFAOYSA-N
MW247.38 g/mol
LogP3.59
Rot. Bonds6

About N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine

N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine (PubChem CID 43560086) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
PubChem CID43560086
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC NameN-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine
SMILESCc1cc(CNC(C)C)cc(C)c1OCC1CC1
InChIInChI=1S/C16H25NO/c1-11(2)17-9-15-7-12(3)16(13(4)8-15)18-10-14-5-6-14/h7-8,11,14,17H,5-6,9-10H2,1-4H3
InChIKeyKBBHHQVUIXJMQX-UHFFFAOYSA-N
XLogP3.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[[3,5-dimethyl-4-(oxolan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43276802
N-[[5-bromo-2-(cyclopropylmethoxy)-3-methylphenyl]methyl]propan-2-amine
CID 112620322
N-[[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methyl]cyclopropanamine
CID 65459145
N-[(3,5-dimethyl-4-propoxyphenyl)methyl]propan-2-amine
CID 43276803
N-[(3,5-dimethyl-4-prop-2-enoxyphenyl)methyl]propan-2-amine
CID 60880054
1-[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]propan-2-amine
CID 61342285
N-[[3,5-dimethyl-4-(4-methylcyclohexyl)oxyphenyl]methyl]propan-2-amine
CID 64749252
5-(chloromethyl)-2-(cyclobutylmethoxy)-1,3-dimethylbenzene
CID 65460366
[4-(cyclobutylmethoxy)-3,5-dimethylphenyl]methanol
CID 65457601
2-[2,6-dimethyl-4-[(propan-2-ylamino)methyl]phenoxy]acetonitrile
CID 60880056
[4-(cyclopentylmethoxy)-3,5-dimethylphenyl]methanamine
CID 61344792
N-[(4-but-3-ynoxy-3,5-dimethylphenyl)methyl]propan-2-amine
CID 55028257

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine?
The IUPAC name of N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine (CID 43560086) is N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine is Cc1cc(CNC(C)C)cc(C)c1OCC1CC1.
What is the InChIKey of N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine?
The InChIKey is KBBHHQVUIXJMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-11(2)17-9-15-7-12(3)16(13(4)8-15)18-10-14-5-6-14/h7-8,11,14,17H,5-6,9-10H2,1-4H3.
What are the key properties of N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine?
N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine has a molecular weight of 247.38 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylmethoxy)-3,5-dimethylphenyl]methyl]propan-2-amine is sourced from PubChem (CID 43560086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).