N-benzylpropan-2-amine;propan-2-yloxybenzene

C19H27NO — CID 169144448

IUPACN-benzylpropan-2-amine;propan-2-yloxybenzene
SMILESCC(C)NCc1ccccc1.CC(C)Oc1ccccc1
InChIInChI=1S/C10H15N.C9H12O/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-9-6-4-3-5-7-9/h3-7,9,11H,8H2,1-2H3;3-8H,1-2H3
InChIKeyULPSWRBAHWWLTR-UHFFFAOYSA-N
MW285.43 g/mol
LogP4.66
Rot. Bonds5

About N-benzylpropan-2-amine;propan-2-yloxybenzene

N-benzylpropan-2-amine;propan-2-yloxybenzene (PubChem CID 169144448) has the molecular formula C19H27NO and a molecular weight of 285.43 g/mol. Its IUPAC name is N-benzylpropan-2-amine;propan-2-yloxybenzene.

Molecular Properties

Compound NameN-benzylpropan-2-amine;propan-2-yloxybenzene
PubChem CID169144448
Molecular FormulaC19H27NO
Molecular Weight285.43 g/mol
Exact Mass285.21
IUPAC NameN-benzylpropan-2-amine;propan-2-yloxybenzene
SMILESCC(C)NCc1ccccc1.CC(C)Oc1ccccc1
InChIInChI=1S/C10H15N.C9H12O/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-9-6-4-3-5-7-9/h3-7,9,11H,8H2,1-2H3;3-8H,1-2H3
InChIKeyULPSWRBAHWWLTR-UHFFFAOYSA-N
XLogP4.66
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.43
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-benzyl-4-propan-2-yloxyaniline
CID 28969524
ethane;2-phenyl-1-phosphanyl-N-[(4-propan-2-yloxyphenyl)methyl]ethanamine
CID 176995208
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]methanamine
CID 39357787
N-phenylmethoxy-1-(4-propan-2-yloxyphenyl)methanamine
CID 82708959
(2R)-3-phenyl-2-[(4-propan-2-yloxyphenyl)methylamino]propanoic acid
CID 120511546
1-phenyl-N-[(3-propan-2-yloxyphenyl)methyl]propan-2-amine
CID 63011929
N-benzyl-1-phenoxy-1-phenylpropan-2-amine;hydrochloride
CID 117068240
N-benzylpropan-2-amine;cumene;methane;yttrium
CID 159029176
N-[(4-propan-2-yloxyphenyl)methyl]pentan-3-amine
CID 43756540
(2S)-N-[(4-propan-2-yloxyphenyl)methyl]butan-2-amine
CID 39245142
1-benzyl-2-methyl-3-[(4-propan-2-yloxyphenyl)methyl]guanidine
CID 110954948
N-[[3-(2-phenylethoxy)phenyl]methyl]propan-2-amine
CID 39368943

Frequently Asked Questions

What is the IUPAC name of N-benzylpropan-2-amine;propan-2-yloxybenzene?
The IUPAC name of N-benzylpropan-2-amine;propan-2-yloxybenzene (CID 169144448) is N-benzylpropan-2-amine;propan-2-yloxybenzene.
What is the SMILES notation for N-benzylpropan-2-amine;propan-2-yloxybenzene?
The canonical SMILES for N-benzylpropan-2-amine;propan-2-yloxybenzene is CC(C)NCc1ccccc1.CC(C)Oc1ccccc1.
What is the InChIKey of N-benzylpropan-2-amine;propan-2-yloxybenzene?
The InChIKey is ULPSWRBAHWWLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N.C9H12O/c1-9(2)11-8-10-6-4-3-5-7-10;1-8(2)10-9-6-4-3-5-7-9/h3-7,9,11H,8H2,1-2H3;3-8H,1-2H3.
What are the key properties of N-benzylpropan-2-amine;propan-2-yloxybenzene?
N-benzylpropan-2-amine;propan-2-yloxybenzene has a molecular weight of 285.43 g/mol, XLogP of 4.66, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzylpropan-2-amine;propan-2-yloxybenzene is sourced from PubChem (CID 169144448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).