3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine

C13H21NO — CID 95439952

IUPAC3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
SMILESCc1cc(CCCN)ccc1OC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)15-13-7-6-12(5-4-8-14)9-11(13)3/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyNEYBUEPOYCQHTR-UHFFFAOYSA-N
MW207.32 g/mol
LogP2.67
Rot. Bonds5

About 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine

3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine (PubChem CID 95439952) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
PubChem CID95439952
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine
SMILESCc1cc(CCCN)ccc1OC(C)C
InChIInChI=1S/C13H21NO/c1-10(2)15-13-7-6-12(5-4-8-14)9-11(13)3/h6-7,9-10H,4-5,8,14H2,1-3H3
InChIKeyNEYBUEPOYCQHTR-UHFFFAOYSA-N
XLogP2.67
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]guanidine
CID 112518124
N-ethyl-2-(3-methyl-4-propan-2-yloxyphenyl)ethanamine
CID 98783598
3-(3-methyl-4-propan-2-yloxyphenyl)propanoic acid
CID 82051538
1-[(3-methyl-4-propan-2-yloxyphenyl)methyl]cyclopropan-1-amine
CID 117313154
3-amino-N-[(3-methyl-4-propan-2-yloxyphenyl)methyl]propanamide
CID 98784387
3-(5-chloro-2-propan-2-yloxyphenyl)propan-1-amine
CID 82263394
methyl N-[2-(3-methyl-4-propan-2-yloxyphenyl)ethyl]carbamate
CID 110788929
3-(3,4-dimethoxyphenyl)propan-1-amine
CID 2281053
4-(3,4-dimethylphenyl)butan-1-amine
CID 19797655
2-[(3-methyl-4-propan-2-yloxyphenyl)methyl]pyrimidin-5-amine
CID 82300056
2-[3-methyl-4-(3-methyl-4-propan-2-ylphenoxy)phenyl]ethanamine
CID 63815601
5-(4-propan-2-yloxyphenyl)pentan-1-amine
CID 54244328

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
The IUPAC name of 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine (CID 95439952) is 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine.
What is the SMILES notation for 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
The canonical SMILES for 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine is Cc1cc(CCCN)ccc1OC(C)C.
What is the InChIKey of 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
The InChIKey is NEYBUEPOYCQHTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-10(2)15-13-7-6-12(5-4-8-14)9-11(13)3/h6-7,9-10H,4-5,8,14H2,1-3H3.
What are the key properties of 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine?
3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine has a molecular weight of 207.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyl-4-propan-2-yloxyphenyl)propan-1-amine is sourced from PubChem (CID 95439952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).