N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine

C15H25NO — CID 43756540

IUPACN-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-14(6-2)16-11-13-7-9-15(10-8-13)17-12(3)4/h7-10,12,14,16H,5-6,11H2,1-4H3
InChIKeyCWHFMNIDVOXILS-UHFFFAOYSA-N
MW235.37 g/mol
LogP3.75
Rot. Bonds7

About N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine

N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine (PubChem CID 43756540) has the molecular formula C15H25NO and a molecular weight of 235.37 g/mol. Its IUPAC name is N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine.

Molecular Properties

Compound NameN-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
PubChem CID43756540
Molecular FormulaC15H25NO
Molecular Weight235.37 g/mol
Exact Mass235.19
IUPAC NameN-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
SMILESCCC(CC)NCc1ccc(OC(C)C)cc1
InChIInChI=1S/C15H25NO/c1-5-14(6-2)16-11-13-7-9-15(10-8-13)17-12(3)4/h7-10,12,14,16H,5-6,11H2,1-4H3
InChIKeyCWHFMNIDVOXILS-UHFFFAOYSA-N
XLogP3.75
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
1-N,1-N,4-trimethyl-2-N-[(4-propan-2-yloxyphenyl)methyl]pentane-1,2-diamine
CID 43792387
1,1-dicyclopropyl-N-[(4-propan-2-yloxyphenyl)methyl]methanamine
CID 43768490
N-[(4-propan-2-yloxyphenyl)methyl]but-3-yn-2-amine
CID 114415274
N-[2-(4-ethylphenoxy)propyl]pentan-3-amine
CID 55088068
N-methyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanamide
CID 61057989
methyl 2-[(4-propan-2-yloxyphenyl)methylamino]propanoate
CID 60781966
N-[[4-(difluoromethoxy)phenyl]methyl]hex-5-yn-3-amine
CID 115654929
4-methylsulfanyl-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 115640046
4-[[(4-propan-2-yloxyphenyl)methylamino]methyl]phenol
CID 115581451
N-benzylpropan-2-amine;propan-2-yloxybenzene
CID 169144448
1-(2-fluorophenyl)-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 60928300

Frequently Asked Questions

What is the IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine?
The IUPAC name of N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine (CID 43756540) is N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine.
What is the SMILES notation for N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine?
The canonical SMILES for N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine is CCC(CC)NCc1ccc(OC(C)C)cc1.
What is the InChIKey of N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine?
The InChIKey is CWHFMNIDVOXILS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO/c1-5-14(6-2)16-11-13-7-9-15(10-8-13)17-12(3)4/h7-10,12,14,16H,5-6,11H2,1-4H3.
What are the key properties of N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine?
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine has a molecular weight of 235.37 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine is sourced from PubChem (CID 43756540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).